Jump to content
Main menu
Main menu
move to sidebar
hide
Navigation
Main page
Recent changes
Random page
Help
Special pages
SBGrid Resources
SBGrid Consortium
SBGrid Data Bank
Software Webinars
PyMOL Webinar
PyMOL Wiki
Search
Search
Appearance
Create account
Log in
Personal tools
Create account
Log in
Pages for logged out editors
learn more
Contributions
Talk
Editing
Molecular Sculpting
(section)
Page
Discussion
English
Read
Edit
View history
Tools
Tools
move to sidebar
hide
Actions
Read
Edit
View history
General
What links here
Related changes
Page information
Appearance
move to sidebar
hide
Warning:
You are not logged in. Your IP address will be publicly visible if you make any edits. If you
log in
or
create an account
, your edits will be attributed to your username, along with other benefits.
Anti-spam check. Do
not
fill this in!
==What the heck is molecular sculpting?== Warren DeLano's reply to the question "molecular sculpting" in PyMOL mailing list.[http://www.mail-archive.com/pymol-users@lists.sourceforge.net/msg00359.html ]: <blockquote> Molecular sculpting works like a real-time energy minimizer, except that it isn't minimizing the energy. Instead, its just trying to return local atomic geometries (bonds, angles, chirality, planarity) to the configuration the molecules possess when they were first loaded into PyMOL. To actually use this feature: # Load a PDB file. # Configure the mouse for editing (''Mouse'' menu) or click in the mouse/key matrix box. # Select ''Sculpting'' from the ''Wizard'' menu. (or: Select ''auto-sculpting'' from the ''Sculpting'' menu.) # ''Ctrl-middle-click'' on any atom in your protein to activate sculpting. The green part will be free to move. The cyan part will be a fixed cushion to provide context. The grey part will be excluded. # Now perform any conformational editing operation in the green region such as: #* ''ctrl-left-click-and-drag'' on an atom #* ''ctrl-right-click'' on a bond, then ''ctrl-left-click-and-drag'' about that bond. You can adjust the radius and cushion using the blue pop-up menus. Right now I'm not sure the sculpting feature is more than entertainment, but my expectation is that it will become part of PyMOL's crystallographic model building system in the future. </blockquote>
Summary:
Please note that all contributions to PyMOL Wiki are considered to be released under the GNU Free Documentation License 1.2 (see
PyMOL Wiki:Copyrights
for details). If you do not want your writing to be edited mercilessly and redistributed at will, then do not submit it here.
You are also promising us that you wrote this yourself, or copied it from a public domain or similar free resource.
Do not submit copyrighted work without permission!
Cancel
Editing help
(opens in new window)
Search
Search
Editing
Molecular Sculpting
(section)
Add topic